(2R)-2-(5-methyl-2-nitroanilino)propanoic acid

C10H12N2O4 — CID 120964446

IUPAC(2R)-2-(5-methyl-2-nitroanilino)propanoic acid
SMILESCc1ccc([N+](=O)[O-])c(N[C@H](C)C(=O)O)c1
InChIInChI=1S/C10H12N2O4/c1-6-3-4-9(12(15)16)8(5-6)11-7(2)10(13)14/h3-5,7,11H,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeyLUEWNPLELAJLJY-SSDOTTSWSA-N
MW224.22 g/mol
LogP1.79
Rot. Bonds4

About (2R)-2-(5-methyl-2-nitroanilino)propanoic acid

(2R)-2-(5-methyl-2-nitroanilino)propanoic acid (PubChem CID 120964446) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (2R)-2-(5-methyl-2-nitroanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(5-methyl-2-nitroanilino)propanoic acid
PubChem CID120964446
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(2R)-2-(5-methyl-2-nitroanilino)propanoic acid
SMILESCc1ccc([N+](=O)[O-])c(N[C@H](C)C(=O)O)c1
InChIInChI=1S/C10H12N2O4/c1-6-3-4-9(12(15)16)8(5-6)11-7(2)10(13)14/h3-5,7,11H,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeyLUEWNPLELAJLJY-SSDOTTSWSA-N
XLogP1.79
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(5-methoxycarbonyl-2-nitroanilino)propanoic acid
CID 95035028
(2R)-3-methyl-2-(5-methyl-2-nitroanilino)butanamide
CID 97327394
2-[5-(ethylcarbamoyl)-2-nitroanilino]propanoic acid
CID 82988342
(2S)-2-amino-4-(5-methyl-2-nitroanilino)butanoic acid
CID 10491077
ethyl 3-(5-methyl-2-nitroanilino)butanoate
CID 133363378
N-[1-(2,5-dimethylphenyl)ethyl]-5-methyl-2-nitroaniline
CID 115912334
2-(4-chloro-2-nitroanilino)propanoic acid
CID 43468856
2-(4-iodo-2-nitroanilino)propanoic acid
CID 66064852
2-(2-bromo-5-methylanilino)propanoic acid
CID 82761158
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
3-(5-methyl-2-nitroanilino)-3-oxopropanoic acid
CID 112557865
(E)-2-amino-5-(5-methyl-2-nitroanilino)-6-oxonon-7-enoic acid
CID 67838838

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methyl-2-nitroanilino)propanoic acid?
The IUPAC name of (2R)-2-(5-methyl-2-nitroanilino)propanoic acid (CID 120964446) is (2R)-2-(5-methyl-2-nitroanilino)propanoic acid.
What is the SMILES notation for (2R)-2-(5-methyl-2-nitroanilino)propanoic acid?
The canonical SMILES for (2R)-2-(5-methyl-2-nitroanilino)propanoic acid is Cc1ccc([N+](=O)[O-])c(N[C@H](C)C(=O)O)c1.
What is the InChIKey of (2R)-2-(5-methyl-2-nitroanilino)propanoic acid?
The InChIKey is LUEWNPLELAJLJY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-3-4-9(12(15)16)8(5-6)11-7(2)10(13)14/h3-5,7,11H,1-2H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-(5-methyl-2-nitroanilino)propanoic acid?
(2R)-2-(5-methyl-2-nitroanilino)propanoic acid has a molecular weight of 224.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methyl-2-nitroanilino)propanoic acid is sourced from PubChem (CID 120964446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).